#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3p s LYS 2 N 0.00 3.96 -0.23 2.12 1.02 -1.26 -5.04 119.74 120.31 1j3p s LYS 2 Ca 0.00 0.92 -0.09 0.00 0.02 0.00 0.00 55.97 56.81 1j3p s LYS 2 Cb 0.00 -2.17 -0.05 0.00 -0.52 0.00 0.00 37.83 35.09 1j3p s LYS 2 CO 0.00 -0.22 0.13 0.71 -0.92 0.00 0.00 175.35 175.05 1j3p s TYR 3 N -2.55 3.28 0.56 3.18 2.02 -1.26 -5.06 117.35 117.52 1j3p s TYR 3 Ca 0.58 0.13 -0.20 0.00 -0.37 0.00 0.00 57.07 57.21 1j3p s TYR 3 Cb -0.10 -2.22 -0.04 0.00 -0.40 0.00 0.00 41.96 39.20 1j3p s TYR 3 CO 0.29 0.05 1.27 0.15 -1.57 0.00 0.00 175.55 175.74 1j3p s LYS 4 N 0.93 3.09 0.11 -0.62 1.02 -1.26 -4.97 119.74 118.04 1j3p s LYS 4 Ca 0.06 2.00 -0.25 0.00 0.02 0.00 0.00 55.97 57.81 1j3p s LYS 4 Cb -0.13 -2.11 -0.07 0.00 -0.52 0.00 0.00 37.83 35.00 1j3p s LYS 4 CO 0.03 -1.15 0.75 -1.21 -0.92 0.00 0.00 175.35 172.85 1j3p s GLU 5 N -3.08 4.51 0.67 1.68 0.41 -1.26 -5.06 118.70 116.56 1j3p s GLU 5 Ca 0.74 1.08 -0.12 0.00 -0.41 0.00 0.00 54.97 56.26 1j3p s GLU 5 Cb -0.35 -3.30 -0.01 0.00 -1.78 0.00 0.00 34.13 28.69 1j3p s GLU 5 CO 0.39 0.46 1.05 -1.25 -0.49 0.00 0.00 175.26 175.42 1j3p s PRO 6 N -0.68 3.11 0.16 0.39 0.04 -1.26 -5.06 135.00 131.71 1j3p s PRO 6 Ca 0.36 0.96 -0.19 0.00 0.04 0.00 0.00 61.00 62.17 1j3p s PRO 6 Cb -0.22 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.36 1j3p s PRO 6 CO 0.24 -0.96 0.53 -0.59 0.04 0.00 0.00 177.00 176.26 1j3p s PHE 7 N -2.97 -0.32 -0.07 0.56 -0.12 -1.26 -5.15 117.98 108.65 1j3p s PHE 7 Ca 0.58 0.03 0.05 0.00 -0.05 0.00 0.00 56.93 57.54 1j3p s PHE 7 Cb -0.14 0.43 -0.00 0.00 -0.63 0.00 0.00 43.02 42.68 1j3p s PHE 7 CO 0.52 -0.84 -0.22 0.20 -0.05 0.00 0.00 175.22 174.83 1j3p s GLY 8 N -2.80 1.18 0.05 1.99 0.00 -1.26 -5.13 107.32 101.35 1j3p s GLY 8 Ca 0.04 -0.89 0.07 0.00 0.00 0.00 0.00 44.72 43.94 1j3p s GLY 8 CO -0.09 -0.42 -0.19 -1.34 0.00 0.00 0.00 173.10 171.06 1j3p s VAL 9 N 0.11 1.57 -0.12 1.40 -7.23 -1.26 -5.13 120.40 109.74 1j3p s VAL 9 Ca -0.09 -1.22 -0.20 0.00 -1.81 0.00 0.00 61.98 58.66 1j3p s VAL 9 Cb -0.15 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1j3p s VAL 9 CO 0.05 0.13 0.55 -0.75 -0.31 0.00 0.00 175.10 174.76 1j3p s LYS 10 N -1.29 4.34 -0.20 4.82 2.36 -1.26 -4.90 119.74 123.61 1j3p s LYS 10 Ca 0.06 0.56 -0.07 0.00 -2.55 0.00 0.00 55.97 53.97 1j3p s LYS 10 Cb -0.09 -3.46 -0.04 0.00 -1.05 0.00 0.00 37.83 33.19 1j3p s LYS 10 CO 0.02 0.07 0.07 -1.17 1.55 0.00 0.00 175.35 175.89 1j3p s LEU 11 N 0.89 3.72 -0.38 5.43 0.20 -1.26 -1.30 118.68 125.98 1j3p s LEU 11 Ca 0.29 0.00 -0.23 0.00 0.69 0.00 0.00 54.13 54.88 1j3p s LEU 11 Cb -0.16 -1.96 0.01 0.00 -0.43 0.00 0.00 46.19 43.66 1j3p s LEU 11 CO 0.12 0.11 0.77 -0.62 -0.29 0.00 0.00 176.35 176.44 1j3p s ASP 12 N 0.74 6.51 0.57 3.68 -1.08 0.01 -4.93 116.67 122.18 1j3p s ASP 12 Ca 0.04 0.24 0.26 0.00 -0.52 0.00 0.00 52.55 52.56 1j3p s ASP 12 Cb -0.13 -2.39 1.65 0.00 -1.46 0.00 0.00 42.92 40.59 1j3p s ASP 12 CO 0.02 -0.76 2.21 -0.26 0.52 0.00 0.00 175.17 176.91 1j3p h PHE 13 N 8.58 0.00 0.14 -5.34 0.04 -1.95 0.33 116.94 118.75 1j3p h PHE 13 Ca -0.25 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.19 1j3p h PHE 13 Cb 1.09 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.24 1j3p h PHE 13 CO 0.79 0.00 -1.72 0.93 -0.60 0.00 0.00 178.31 177.71 1j3p h GLU 14 N 0.00 0.30 0.00 1.51 4.39 -1.96 -3.40 114.58 115.42 1j3p h GLU 14 Ca 0.01 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1j3p h GLU 14 Cb 0.05 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1j3p h GLU 14 CO -0.00 1.18 -1.44 0.25 -1.16 0.00 0.00 179.01 177.84 1j3p n THR 15 N -3.49 0.00 -0.61 1.13 -2.24 -1.14 -4.97 114.28 102.96 1j3p n THR 15 Ca -0.23 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1j3p n THR 15 Cb 1.06 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 1j3p n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3p n GLY 16 N 1.43 1.64 3.73 3.38 0.00 0.12 -4.93 105.19 110.54 1j3p n GLY 16 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1j3p n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j3p s ILE 17 N -3.56 3.74 -0.20 -0.61 1.01 -1.25 -4.73 121.20 115.60 1j3p s ILE 17 Ca 0.00 1.39 -0.05 0.00 0.00 0.00 0.00 60.65 61.99 1j3p s ILE 17 Cb 0.00 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 1j3p s ILE 17 CO 0.00 0.19 -0.02 -0.63 0.00 0.00 0.00 174.94 174.48 1j3p s ILE 18 N 0.29 3.79 0.34 2.92 1.01 -1.26 -0.81 121.20 127.49 1j3p s ILE 18 Ca 0.54 -0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 1j3p s ILE 18 Cb -0.31 -2.71 -0.12 0.00 0.01 0.00 0.00 42.46 39.33 1j3p s ILE 18 CO 0.34 0.43 1.42 -1.84 0.00 0.00 0.00 174.94 175.30 1j3p n GLU 19 N 4.29 2.43 -1.45 2.79 0.28 -0.42 -2.32 120.64 126.25 1j3p n GLU 19 Ca -0.17 0.85 -0.15 0.00 -0.16 0.00 0.00 57.16 57.53 1j3p n GLU 19 Cb 0.52 -2.53 -0.07 0.00 1.43 0.00 0.00 31.44 30.79 1j3p n GLU 19 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1j3p n ASN 20 N 0.95 -5.12 -4.92 -1.84 4.13 -1.26 -4.69 115.26 102.50 1j3p n ASN 20 Ca 0.04 0.38 -0.26 0.00 1.68 0.00 0.00 54.58 56.43 1j3p n ASN 20 Cb 0.37 -3.99 -0.01 0.00 -1.54 0.00 0.00 39.78 34.62 1j3p n ASN 20 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1j3p s ALA 21 N -2.49 3.56 -0.23 5.41 0.00 -0.98 -4.96 121.76 122.07 1j3p s ALA 21 Ca 0.00 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 1j3p s ALA 21 Cb 0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.76 1j3p s ALA 21 CO 0.00 -0.17 0.63 0.21 0.00 0.00 0.00 175.76 176.42 1j3p s LYS 22 N -4.50 4.15 -0.05 0.00 2.20 0.63 -4.78 119.74 117.38 1j3p s LYS 22 Ca 0.44 0.57 -0.18 0.00 -0.36 0.00 0.00 55.97 56.43 1j3p s LYS 22 Cb -0.10 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.55 1j3p s LYS 22 CO 0.40 -0.35 0.49 0.21 -0.36 0.00 0.00 175.35 175.74 1j3p s LYS 23 N 2.29 4.22 0.04 4.03 2.20 -1.25 -1.06 119.74 130.20 1j3p s LYS 23 Ca 0.27 0.51 0.06 0.00 -0.36 0.00 0.00 55.97 56.45 1j3p s LYS 23 Cb -0.16 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.79 1j3p s LYS 23 CO 0.09 0.37 -0.18 -1.12 -0.36 0.00 0.00 175.35 174.14 1j3p s SER 24 N -0.08 2.18 -0.05 1.43 0.01 0.30 -4.96 113.70 112.52 1j3p s SER 24 Ca 0.26 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 57.07 1j3p s SER 24 Cb -0.16 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1j3p s SER 24 CO 0.13 0.12 -0.15 -0.69 0.41 0.00 0.00 173.24 173.07 1j3p s VAL 25 N -0.79 1.28 -0.22 3.43 1.01 -1.26 -0.89 120.40 122.95 1j3p s VAL 25 Ca 0.06 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1j3p s VAL 25 Cb -0.08 -1.13 0.04 0.00 0.00 0.00 0.00 36.38 35.21 1j3p s VAL 25 CO 0.01 0.38 -0.14 -0.13 0.00 0.00 0.00 175.10 175.22 1j3p s ARG 26 N 0.34 2.47 0.52 2.72 3.00 -0.28 -5.03 118.95 122.70 1j3p s ARG 26 Ca -0.09 -1.10 0.04 0.00 0.00 0.00 0.00 55.73 54.57 1j3p s ARG 26 Cb -0.13 -2.72 0.04 0.00 0.00 0.00 0.00 34.95 32.13 1j3p s ARG 26 CO 0.03 -0.43 0.73 1.03 0.00 0.00 0.00 175.30 176.66 1j3p s ARG 27 N 1.20 2.54 0.38 3.54 0.52 -1.26 -0.15 118.95 125.73 1j3p s ARG 27 Ca -0.03 -1.03 0.07 0.00 -0.52 0.00 0.00 55.73 54.22 1j3p s ARG 27 Cb -0.17 -2.58 0.79 0.00 0.52 0.00 0.00 34.95 33.52 1j3p s ARG 27 CO -0.08 -0.64 1.98 1.25 0.02 0.00 0.00 175.30 177.82 1j3p h LEU 28 N 0.22 0.60 -1.81 2.53 5.85 -1.52 0.12 115.31 121.29 1j3p h LEU 28 Ca -0.40 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1j3p h LEU 28 Cb 1.29 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1j3p h LEU 28 CO 0.48 0.39 0.00 0.77 -0.34 0.00 0.00 178.44 179.74 1j3p h SER 29 N 0.68 0.00 -0.00 1.25 4.64 -1.88 -1.25 113.55 116.99 1j3p h SER 29 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1j3p h SER 29 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1j3p h SER 29 CO -0.09 0.00 -0.00 0.47 -0.87 0.00 0.00 176.83 176.34 1j3p n ASP 30 N -2.97 0.93 -2.33 4.97 8.00 0.42 -3.95 116.55 121.63 1j3p n ASP 30 Ca -0.00 -1.29 -0.22 0.00 0.71 0.00 0.00 54.79 53.98 1j3p n ASP 30 Cb 0.22 -0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.33 1j3p n ASP 30 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1j3p n MET 31 N -0.28 3.20 -1.92 -1.24 2.81 -0.47 -4.94 117.12 114.27 1j3p n MET 31 Ca 0.21 -4.19 -0.42 0.00 -1.81 0.00 0.00 57.70 51.49 1j3p n MET 31 Cb 0.26 -2.13 -0.03 0.00 -0.71 0.00 0.00 33.22 30.61 1j3p n MET 31 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1j3p s LYS 32 N -3.55 4.21 0.00 0.03 2.20 -1.25 -2.19 119.74 119.18 1j3p s LYS 32 Ca 0.46 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 58.45 1j3p s LYS 32 Cb 0.40 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 1j3p s LYS 32 CO -0.06 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 1j3p n GLY 33 N 3.36 0.68 0.07 5.54 0.00 -1.26 -4.90 105.19 108.68 1j3p n GLY 33 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 1j3p n GLY 33 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1j3p h TYR 34 N 0.00 0.00 -3.11 1.61 -1.99 -1.82 -3.46 116.97 108.20 1j3p h TYR 34 Ca 0.00 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.14 1j3p h TYR 34 Cb 0.04 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.73 1j3p h TYR 34 CO 0.03 1.00 -0.35 -0.06 -0.00 0.00 0.00 178.16 178.77 1j3p s PHE 35 N -2.66 3.48 0.21 4.88 0.08 -1.26 -5.01 117.98 117.70 1j3p s PHE 35 Ca -0.02 0.50 0.00 0.00 0.12 0.00 0.00 56.93 57.53 1j3p s PHE 35 Cb 0.09 -1.96 0.17 0.00 -0.57 0.00 0.00 43.02 40.76 1j3p s PHE 35 CO 0.82 0.47 1.53 0.97 -0.10 0.00 0.00 175.22 178.91 1j3p h ILE 36 N 2.06 1.35 -2.01 0.64 2.10 -1.90 -3.37 117.51 116.38 1j3p h ILE 36 Ca -0.46 -1.87 -0.71 0.00 1.08 0.00 0.00 64.86 62.90 1j3p h ILE 36 Cb 1.16 1.87 -0.16 0.00 -1.09 0.00 0.00 36.82 38.60 1j3p h ILE 36 CO 0.73 0.57 1.34 -0.62 -1.08 0.00 0.00 178.15 179.09 1j3p s ASP 37 N -6.91 6.91 0.35 2.19 -1.08 -1.26 -4.84 116.67 112.02 1j3p s ASP 37 Ca -0.06 -2.62 0.06 0.00 -0.52 0.00 0.00 52.55 49.41 1j3p s ASP 37 Cb 0.12 -2.43 0.74 0.00 -1.46 0.00 0.00 42.92 39.89 1j3p s ASP 37 CO 0.82 -0.91 1.91 -0.08 0.52 0.00 0.00 175.17 177.43 1j3p h GLU 38 N 7.74 0.75 -0.36 4.34 4.81 -1.98 -1.28 114.58 128.60 1j3p h GLU 38 Ca 0.29 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 1j3p h GLU 38 Cb 0.92 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1j3p h GLU 38 CO 1.25 0.49 -0.16 0.93 -0.73 0.00 0.00 179.01 180.79 1j3p h GLU 39 N 0.77 0.75 -0.15 1.92 4.39 -1.96 -1.37 114.58 118.93 1j3p h GLU 39 Ca 0.39 -0.32 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 1j3p h GLU 39 Cb 0.47 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1j3p h GLU 39 CO -0.16 0.93 -0.24 0.00 -1.16 0.00 0.00 179.01 178.39 1j3p h ALA 40 N 0.80 1.31 0.38 3.43 0.00 -1.84 -1.54 119.26 121.79 1j3p h ALA 40 Ca 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1j3p h ALA 40 Cb 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1j3p h ALA 40 CO 0.05 0.47 -0.18 2.35 0.00 0.00 0.00 179.25 181.94 1j3p h TRP 41 N 0.25 -0.47 -0.88 0.00 7.01 -0.98 -1.72 115.95 119.16 1j3p h TRP 41 Ca 0.04 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.06 1j3p h TRP 41 Cb 0.57 0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 27.73 1j3p h TRP 41 CO 0.01 -0.17 0.58 -0.22 -2.79 0.00 0.00 178.44 175.85 1j3p h LYS 42 N -0.75 1.08 -0.76 2.65 1.63 -1.14 -0.88 116.57 118.41 1j3p h LYS 42 Ca -0.05 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.63 1j3p h LYS 42 Cb 0.51 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 1j3p h LYS 42 CO 0.09 0.72 0.25 -0.22 -3.45 0.00 0.00 179.45 176.83 1j3p h LYS 43 N 1.12 1.17 -0.03 1.90 3.64 -1.22 -2.24 116.57 120.91 1j3p h LYS 43 Ca 0.35 -0.24 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 1j3p h LYS 43 Cb -0.00 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1j3p h LYS 43 CO -0.10 0.98 -0.64 0.52 -2.27 0.00 0.00 179.45 177.94 1j3p h MET 44 N 1.13 0.10 0.35 1.90 2.86 -0.51 -1.57 114.93 119.18 1j3p h MET 44 Ca 0.25 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1j3p h MET 44 Cb 0.29 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1j3p h MET 44 CO -0.01 0.71 -0.17 0.28 1.06 0.00 0.00 176.91 178.78 1j3p h VAL 45 N 0.07 0.67 -0.94 -2.22 2.07 -0.90 -1.13 116.25 113.87 1j3p h VAL 45 Ca -0.01 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1j3p h VAL 45 Cb 1.15 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1j3p h VAL 45 CO 0.09 0.05 0.62 -0.33 0.02 0.00 0.00 177.57 178.02 1j3p h GLU 46 N -0.61 1.17 0.00 1.57 5.08 -1.38 0.55 114.58 120.96 1j3p h GLU 46 Ca -0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1j3p h GLU 46 Cb 0.44 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1j3p h GLU 46 CO 0.08 0.77 0.00 0.93 -1.00 0.00 0.00 179.01 179.79 1j3p h GLU 47 N 1.20 0.00 0.00 2.33 5.08 -1.17 -3.44 114.58 118.58 1j3p h GLU 47 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1j3p h GLU 47 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1j3p h GLU 47 CO -0.11 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.31 1j3p n GLY 48 N -0.14 0.00 3.58 -3.84 0.00 -0.74 -5.02 105.19 99.03 1j3p n GLY 48 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1j3p n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j3p n ASP 49 N 0.00 -5.68 -4.69 1.61 4.64 0.11 -4.91 116.55 107.62 1j3p n ASP 49 Ca 0.00 -0.91 -0.33 0.00 -1.38 0.00 0.00 54.79 52.17 1j3p n ASP 49 Cb 0.00 -3.69 0.14 0.00 -1.04 0.00 0.00 41.12 36.53 1j3p n ASP 49 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1j3p s PRO 50 N -5.51 1.45 0.03 -0.67 0.04 -1.26 -4.49 135.00 124.60 1j3p s PRO 50 Ca 0.42 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 1j3p s PRO 50 Cb -0.14 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1j3p s PRO 50 CO 0.84 -2.34 1.16 0.08 0.04 0.00 0.00 177.00 176.78 1j3p s VAL 51 N -2.32 4.21 -0.13 -0.36 1.01 -1.26 -1.59 120.40 119.96 1j3p s VAL 51 Ca 0.71 1.58 -0.16 0.00 0.00 0.00 0.00 61.98 64.11 1j3p s VAL 51 Cb -0.26 -4.01 -0.25 0.00 0.00 0.00 0.00 36.38 31.85 1j3p s VAL 51 CO 0.53 0.11 0.46 0.58 0.00 0.00 0.00 175.10 176.77 1j3p h VAL 52 N 4.63 0.97 -2.20 2.92 2.07 -0.82 -3.43 116.25 120.39 1j3p h VAL 52 Ca -0.40 -2.34 -0.06 0.00 0.82 0.00 0.00 66.70 64.72 1j3p h VAL 52 Cb 1.21 2.60 -0.18 0.00 -1.52 0.00 0.00 31.29 33.39 1j3p h VAL 52 CO 0.81 0.64 0.14 -0.72 0.02 0.00 0.00 177.57 178.47 1j3p s TYR 53 N -2.45 -0.60 0.04 1.57 -0.85 -0.99 -1.34 117.35 112.73 1j3p s TYR 53 Ca -0.22 0.96 0.09 0.00 -0.52 0.00 0.00 57.07 57.38 1j3p s TYR 53 Cb 0.05 0.39 -0.03 0.00 0.38 0.00 0.00 41.96 42.75 1j3p s TYR 53 CO 0.72 -0.61 -0.26 -1.21 -1.52 0.00 0.00 175.55 172.67 1j3p s GLU 54 N -1.45 1.77 -0.06 -3.49 2.02 -0.58 -1.12 118.70 115.80 1j3p s GLU 54 Ca -0.10 -1.09 0.04 0.00 0.02 0.00 0.00 54.97 53.84 1j3p s GLU 54 Cb -0.01 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.29 1j3p s GLU 54 CO 0.07 0.50 -0.17 0.08 0.02 0.00 0.00 175.26 175.76 1j3p s VAL 55 N -0.80 1.47 -0.37 2.63 1.01 -0.07 -0.87 120.40 123.40 1j3p s VAL 55 Ca 0.11 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1j3p s VAL 55 Cb -0.10 -1.28 0.09 0.00 0.00 0.00 0.00 36.38 35.09 1j3p s VAL 55 CO 0.02 0.43 0.12 -0.31 0.00 0.00 0.00 175.10 175.35 1j3p s TYR 56 N 0.26 3.56 0.07 5.22 2.02 -0.49 -0.54 117.35 127.44 1j3p s TYR 56 Ca -0.09 -2.44 0.07 0.00 -0.37 0.00 0.00 57.07 54.24 1j3p s TYR 56 Cb -0.14 -2.90 -0.03 0.00 -0.40 0.00 0.00 41.96 38.49 1j3p s TYR 56 CO 0.04 -0.93 -0.17 0.00 -1.57 0.00 0.00 175.55 172.91 1j3p s ALA 57 N 1.11 2.65 -0.32 3.71 0.00 -0.23 -1.44 121.76 127.24 1j3p s ALA 57 Ca 0.06 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.80 1j3p s ALA 57 Cb -0.21 -0.73 0.09 0.00 0.00 0.00 0.00 23.12 22.27 1j3p s ALA 57 CO -0.04 0.58 0.05 0.42 0.00 0.00 0.00 175.76 176.77 1j3p s ILE 58 N -1.01 1.74 0.06 0.00 -1.09 -0.30 -0.27 121.20 120.34 1j3p s ILE 58 Ca 0.16 -1.90 0.07 0.00 -2.23 0.00 0.00 60.65 56.75 1j3p s ILE 58 Cb -0.11 -2.25 -0.03 0.00 -1.58 0.00 0.00 42.46 38.49 1j3p s ILE 58 CO 0.07 -0.55 -0.17 -1.61 -1.23 0.00 0.00 174.94 171.45 1j3p s GLU 59 N 1.19 2.05 0.43 2.79 2.02 -1.26 -2.37 118.70 123.55 1j3p s GLU 59 Ca 0.08 -1.00 0.08 0.00 0.02 0.00 0.00 54.97 54.15 1j3p s GLU 59 Cb -0.18 -2.20 0.02 0.00 0.10 0.00 0.00 34.13 31.86 1j3p s GLU 59 CO -0.13 0.53 0.59 -0.65 0.02 0.00 0.00 175.26 175.61 1j3p s GLN 60 N -1.63 2.79 0.66 1.61 -1.52 -1.26 -5.07 119.66 115.25 1j3p s GLN 60 Ca 0.16 -1.25 -0.17 0.00 -1.95 0.00 0.00 55.36 52.14 1j3p s GLN 60 Cb -0.11 -2.75 -0.00 0.00 -0.22 0.00 0.00 33.01 29.94 1j3p s GLN 60 CO 0.07 -0.31 1.27 -1.21 -0.25 0.00 0.00 175.29 174.86 1j3p s GLU 61 N -4.38 2.47 -1.18 2.91 2.02 -1.26 -4.79 118.70 114.50 1j3p s GLU 61 Ca 0.55 1.99 -0.23 0.00 0.02 0.00 0.00 54.97 57.31 1j3p s GLU 61 Cb -0.10 -1.85 -0.10 0.00 0.10 0.00 0.00 34.13 32.19 1j3p s GLU 61 CO 0.33 -1.64 1.95 -1.21 0.02 0.00 0.00 175.26 174.72 1j3p s GLU 62 N -3.48 2.38 0.07 1.61 2.02 -1.26 -4.75 118.70 115.29 1j3p s GLU 62 Ca 0.81 -1.12 0.09 0.00 0.02 0.00 0.00 54.97 54.76 1j3p s GLU 62 Cb -0.35 -5.22 -0.03 0.00 0.10 0.00 0.00 34.13 28.62 1j3p s GLU 62 CO 0.40 -4.12 -0.23 0.21 0.02 0.00 0.00 175.26 171.54 1j3p s LYS 63 N 6.62 1.45 0.49 1.61 2.20 -1.26 -4.78 119.74 126.06 1j3p s LYS 63 Ca 0.69 -1.10 -0.23 0.00 -0.36 0.00 0.00 55.97 54.97 1j3p s LYS 63 Cb -0.01 -1.68 -0.07 0.00 -1.51 0.00 0.00 37.83 34.57 1j3p s LYS 63 CO 0.14 0.42 1.32 -2.00 -0.36 0.00 0.00 175.35 174.86 1j3p s GLU 64 N -1.48 3.51 0.00 4.03 2.12 -1.26 -2.85 118.70 122.77 1j3p s GLU 64 Ca 0.10 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.58 1j3p s GLU 64 Cb -0.10 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 31.85 1j3p s GLU 64 CO 0.03 -0.86 0.00 0.41 -0.54 0.00 0.00 175.26 174.30 1j3p n GLY 65 N 0.63 2.88 3.94 -1.50 0.00 -1.26 -5.02 105.19 104.87 1j3p n GLY 65 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1j3p n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j3p s ASP 66 N -2.23 4.75 0.02 1.61 -1.08 -1.13 -4.97 116.67 113.63 1j3p s ASP 66 Ca 0.00 0.28 0.03 0.00 -0.52 0.00 0.00 52.55 52.33 1j3p s ASP 66 Cb 0.00 -0.91 -0.01 0.00 -1.46 0.00 0.00 42.92 40.54 1j3p s ASP 66 CO 0.00 -1.61 -0.08 -0.76 0.52 0.00 0.00 175.17 173.24 1j3p s LEU 67 N -5.19 2.11 0.21 -1.34 1.43 -1.26 -1.48 118.68 113.16 1j3p s LEU 67 Ca 0.61 -0.31 0.10 0.00 -1.03 0.00 0.00 54.13 53.51 1j3p s LEU 67 Cb -0.10 -0.34 -0.04 0.00 0.03 0.00 0.00 46.19 45.74 1j3p s LEU 67 CO 0.44 -0.01 -0.16 0.20 0.23 0.00 0.00 176.35 177.05 1j3p s ASN 68 N -0.75 3.85 0.00 2.29 0.01 0.83 -4.46 114.94 116.72 1j3p s ASN 68 Ca -0.01 -0.78 -0.10 0.00 -0.71 0.00 0.00 52.86 51.27 1j3p s ASN 68 Cb -0.06 -0.48 0.01 0.00 0.41 0.00 0.00 41.25 41.13 1j3p s ASN 68 CO 0.00 0.09 0.19 0.72 -1.51 0.00 0.00 177.10 176.59 1j3p s PHE 69 N -1.90 -0.01 -0.19 2.20 -0.12 -1.00 -1.43 117.98 115.53 1j3p s PHE 69 Ca 0.25 -0.06 -0.27 0.00 -0.05 0.00 0.00 56.93 56.80 1j3p s PHE 69 Cb -0.08 -0.01 0.08 0.00 -0.63 0.00 0.00 43.02 42.39 1j3p s PHE 69 CO 0.14 -0.34 0.79 0.00 -0.05 0.00 0.00 175.22 175.76 1j3p s ALA 70 N -1.58 -1.83 0.12 1.99 0.00 0.03 -1.14 121.76 119.36 1j3p s ALA 70 Ca -0.13 1.73 0.02 0.00 0.00 0.00 0.00 51.96 53.59 1j3p s ALA 70 Cb -0.06 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1j3p s ALA 70 CO 0.01 -0.33 0.22 0.95 0.00 0.00 0.00 175.76 176.62 1j3p s THR 71 N -0.30 5.15 -0.03 0.00 -4.23 -0.52 0.16 115.64 115.87 1j3p s THR 71 Ca -0.03 -0.67 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 1j3p s THR 71 Cb -0.03 -3.60 -0.00 0.00 1.34 0.00 0.00 72.50 70.21 1j3p s THR 71 CO 0.03 -0.01 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.08 1j3p s THR 72 N -1.65 1.11 -0.37 3.99 2.01 -0.05 -1.40 115.64 119.28 1j3p s THR 72 Ca 0.34 -0.55 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 1j3p s THR 72 Cb -0.12 -0.96 0.08 0.00 0.01 0.00 0.00 72.50 71.52 1j3p s THR 72 CO 0.27 0.33 0.14 -0.69 -0.69 0.00 0.00 174.62 173.98 1j3p s VAL 73 N 0.05 3.33 -0.38 3.82 1.01 -0.05 -2.36 120.40 125.81 1j3p s VAL 73 Ca -0.02 -1.72 -0.14 0.00 0.00 0.00 0.00 61.98 60.10 1j3p s VAL 73 Cb -0.09 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1j3p s VAL 73 CO 0.01 -0.46 0.28 -0.22 0.00 0.00 0.00 175.10 174.71 1j3p s LEU 74 N 1.22 4.86 0.58 3.92 0.20 -0.11 -1.52 118.68 127.83 1j3p s LEU 74 Ca 0.03 -0.70 -0.17 0.00 0.69 0.00 0.00 54.13 53.98 1j3p s LEU 74 Cb -0.22 -2.15 -0.04 0.00 -0.43 0.00 0.00 46.19 43.35 1j3p s LEU 74 CO -0.02 -0.36 1.07 -0.31 -0.29 0.00 0.00 176.35 176.44 1j3p s TYR 75 N 1.70 2.87 0.33 5.38 2.02 -0.45 -0.36 117.35 128.85 1j3p s TYR 75 Ca 0.05 1.53 -0.27 0.00 -0.37 0.00 0.00 57.07 58.02 1j3p s TYR 75 Cb -0.18 -3.09 -0.09 0.00 -0.40 0.00 0.00 41.96 38.20 1j3p s TYR 75 CO 0.10 -1.24 1.05 -1.25 -1.57 0.00 0.00 175.55 172.64 1j3p s PRO 76 N -3.83 4.47 0.00 -1.71 0.04 -1.26 -4.73 135.00 127.99 1j3p s PRO 76 Ca 0.66 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1j3p s PRO 76 Cb -0.18 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1j3p s PRO 76 CO 0.33 0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.90 1j3p n GLY 77 N 0.83 1.56 2.97 0.56 0.00 -1.26 -4.96 105.19 104.89 1j3p n GLY 77 Ca 0.01 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 1j3p n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j3p s LYS 78 N -2.00 0.13 -0.44 1.61 1.02 -1.26 -0.24 119.74 118.57 1j3p s LYS 78 Ca 0.00 0.04 -0.08 0.00 0.02 0.00 0.00 55.97 55.95 1j3p s LYS 78 Cb 0.00 0.06 0.11 0.00 -0.52 0.00 0.00 37.83 37.48 1j3p s LYS 78 CO 0.00 -0.02 0.29 0.08 -0.92 0.00 0.00 175.35 174.78 1j3p s VAL 79 N -0.14 4.03 0.00 3.17 1.01 0.97 -4.85 120.40 124.59 1j3p s VAL 79 Ca -0.02 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.24 1j3p s VAL 79 Cb -0.02 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1j3p s VAL 79 CO 0.00 -0.68 0.00 0.61 0.00 0.00 0.00 175.10 175.04 1j3p n GLY 80 N 4.85 2.23 0.06 4.51 0.00 -1.26 -1.77 105.19 113.81 1j3p n GLY 80 Ca -0.08 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.71 1j3p n GLY 80 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j3p n ASN 81 N 9.51 2.24 -4.62 1.61 0.23 -1.26 -4.99 115.26 117.97 1j3p n ASN 81 Ca 0.00 -2.60 -0.39 0.00 -0.53 0.00 0.00 54.58 51.06 1j3p n ASN 81 Cb 0.00 -0.24 -0.08 0.00 -2.08 0.00 0.00 39.78 37.37 1j3p n ASN 81 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1j3p s GLU 82 N -2.03 4.05 0.62 -3.83 2.12 -0.73 -1.09 118.70 117.81 1j3p s GLU 82 Ca 0.18 0.15 -0.19 0.00 0.36 0.00 0.00 54.97 55.48 1j3p s GLU 82 Cb 0.16 -3.64 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1j3p s GLU 82 CO 0.02 -0.28 1.32 -0.06 -0.54 0.00 0.00 175.26 175.72 1j3p s PHE 83 N 2.08 2.11 0.46 5.30 0.08 -1.08 -0.02 117.98 126.92 1j3p s PHE 83 Ca 0.18 1.45 -0.24 0.00 0.12 0.00 0.00 56.93 58.43 1j3p s PHE 83 Cb -0.16 -3.74 -0.08 0.00 -0.57 0.00 0.00 43.02 38.47 1j3p s PHE 83 CO 0.09 -2.97 1.28 1.19 -0.10 0.00 0.00 175.22 174.72 1j3p n PHE 84 N -1.70 2.13 -3.75 0.36 0.99 0.67 -4.79 117.46 111.37 1j3p n PHE 84 Ca 0.15 0.47 -0.09 0.00 -0.00 0.00 0.00 57.45 57.98 1j3p n PHE 84 Cb 0.47 -2.36 -0.03 0.00 -1.00 0.00 0.00 39.48 36.55 1j3p n PHE 84 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1j3p s MET 85 N -2.41 1.45 0.64 -1.08 0.23 -1.26 -1.84 119.30 115.03 1j3p s MET 85 Ca 0.64 -0.88 -0.09 0.00 -1.03 0.00 0.00 55.69 54.33 1j3p s MET 85 Cb -0.47 0.54 0.00 0.00 -1.53 0.00 0.00 34.83 33.37 1j3p s MET 85 CO 0.55 -0.63 1.01 0.95 -2.03 0.00 0.00 175.02 174.87 1j3p s THR 86 N -3.88 3.76 0.23 3.16 -4.23 -0.57 -4.92 115.64 109.19 1j3p s THR 86 Ca 0.10 0.35 -0.08 0.00 -1.18 0.00 0.00 61.69 60.88 1j3p s THR 86 Cb -0.02 -3.54 0.20 0.00 1.34 0.00 0.00 72.50 70.49 1j3p s THR 86 CO -0.01 -0.65 1.88 0.11 -0.54 0.00 0.00 174.62 175.41 1j3p h LYS 87 N -0.41 1.05 0.00 3.99 1.57 -1.95 -3.43 116.57 117.40 1j3p h LYS 87 Ca -0.45 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1j3p h LYS 87 Cb 1.24 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1j3p h LYS 87 CO 0.62 0.69 0.00 0.41 -0.57 0.00 0.00 179.45 180.61 1j3p n GLY 88 N -1.33 -0.17 3.65 3.86 0.00 -1.26 -4.91 105.19 105.03 1j3p n GLY 88 Ca 0.10 -1.53 -0.02 0.00 0.00 0.00 0.00 46.02 44.57 1j3p n GLY 88 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1j3p s HIS 89 N -2.93 -0.12 0.27 1.61 -3.43 -1.03 -4.69 115.29 104.96 1j3p s HIS 89 Ca 0.00 -0.05 0.08 0.00 -0.80 0.00 0.00 55.06 54.29 1j3p s HIS 89 Cb 0.00 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.69 1j3p s HIS 89 CO 0.00 -0.50 0.15 0.71 -2.00 0.00 0.00 174.74 173.11 1j3p s TYR 90 N -2.82 2.96 0.35 0.38 2.02 -1.00 -1.83 117.35 117.42 1j3p s TYR 90 Ca 0.12 -0.17 -0.19 0.00 -0.37 0.00 0.00 57.07 56.46 1j3p s TYR 90 Cb 0.01 -1.40 -0.10 0.00 -0.40 0.00 0.00 41.96 40.07 1j3p s TYR 90 CO -0.02 0.50 0.83 -1.01 -1.57 0.00 0.00 175.55 174.28 1j3p s HIS 91 N -2.22 3.40 0.13 2.71 3.76 -1.26 0.37 115.29 122.19 1j3p s HIS 91 Ca 0.34 1.43 -0.19 0.00 -0.15 0.00 0.00 55.06 56.49 1j3p s HIS 91 Cb -0.07 -2.69 -0.01 0.00 1.11 0.00 0.00 32.58 30.92 1j3p s HIS 91 CO 0.24 0.05 1.73 1.03 -0.85 0.00 0.00 174.74 176.94 1j3p h SER 92 N 2.31 -0.02 -2.73 1.40 0.87 -0.57 -2.88 113.55 111.94 1j3p h SER 92 Ca -0.48 0.04 -0.70 0.00 -1.23 0.00 0.00 61.79 59.42 1j3p h SER 92 Cb 1.18 0.06 -0.19 0.00 -0.44 0.00 0.00 62.40 63.01 1j3p h SER 92 CO 0.64 0.02 0.57 -0.54 -0.53 0.00 0.00 176.83 176.99 1j3p s LYS 93 N -6.18 3.45 0.56 2.24 1.02 -0.43 -4.91 119.74 115.48 1j3p s LYS 93 Ca -0.13 -1.68 0.39 0.00 0.02 0.00 0.00 55.97 54.57 1j3p s LYS 93 Cb 0.10 -4.65 1.54 0.00 -0.52 0.00 0.00 37.83 34.30 1j3p s LYS 93 CO 0.69 -1.67 1.71 0.97 -0.92 0.00 0.00 175.35 176.13 1j3p h ILE 94 N 5.71 0.26 -0.29 2.17 6.09 -1.80 -2.30 117.51 127.35 1j3p h ILE 94 Ca 0.02 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.51 1j3p h ILE 94 Cb 1.04 0.29 0.00 0.00 0.47 0.00 0.00 36.82 38.62 1j3p h ILE 94 CO 1.06 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 175.24 1j3p n ASP 95 N -3.99 1.60 -4.80 2.19 5.75 -1.26 -0.42 116.55 115.63 1j3p n ASP 95 Ca 0.29 -1.97 -0.36 0.00 -0.01 0.00 0.00 54.79 52.74 1j3p n ASP 95 Cb 1.42 -0.19 -0.06 0.00 -1.03 0.00 0.00 41.12 41.25 1j3p n ASP 95 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1j3p s ARG 96 N -1.62 4.41 0.40 0.11 3.00 -0.87 -4.44 118.95 119.94 1j3p s ARG 96 Ca 0.21 1.15 0.06 0.00 0.00 0.00 0.00 55.73 57.15 1j3p s ARG 96 Cb 0.11 -2.69 0.06 0.00 0.00 0.00 0.00 34.95 32.44 1j3p s ARG 96 CO 0.15 0.25 0.53 0.00 0.00 0.00 0.00 175.30 176.23 1j3p n ALA 97 N 0.34 0.84 -3.31 2.13 0.00 -1.26 -4.26 120.51 114.98 1j3p n ALA 97 Ca 0.02 -1.48 -0.14 0.00 0.00 0.00 0.00 53.44 51.84 1j3p n ALA 97 Cb 0.51 0.42 -0.06 0.00 0.00 0.00 0.00 19.45 20.32 1j3p n ALA 97 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1j3p s GLU 98 N -3.81 0.95 -0.08 0.00 2.12 -0.27 -4.31 118.70 113.31 1j3p s GLU 98 Ca 0.40 -0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.61 1j3p s GLU 98 Cb -0.03 0.43 0.01 0.00 0.26 0.00 0.00 34.13 34.80 1j3p s GLU 98 CO 0.26 -0.32 -0.14 0.08 -0.54 0.00 0.00 175.26 174.60 1j3p s VAL 99 N -1.98 1.28 0.03 3.70 1.01 -0.16 -0.55 120.40 123.73 1j3p s VAL 99 Ca -0.08 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.39 1j3p s VAL 99 Cb -0.01 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1j3p s VAL 99 CO 0.02 0.39 -0.06 -0.31 0.00 0.00 0.00 175.10 175.13 1j3p s TYR 100 N 0.70 2.88 -0.22 5.22 2.02 -0.11 -0.63 117.35 127.19 1j3p s TYR 100 Ca -0.14 -0.06 -0.03 0.00 -0.37 0.00 0.00 57.07 56.48 1j3p s TYR 100 Cb -0.16 -1.57 0.07 0.00 -0.40 0.00 0.00 41.96 39.90 1j3p s TYR 100 CO 0.03 0.39 0.07 0.12 -1.57 0.00 0.00 175.55 174.60 1j3p s PHE 101 N -1.06 0.83 0.17 2.71 5.36 0.62 -0.25 117.98 126.35 1j3p s PHE 101 Ca 0.19 -0.86 -0.30 0.00 -0.96 0.00 0.00 56.93 55.00 1j3p s PHE 101 Cb -0.11 -1.03 -0.08 0.00 -0.34 0.00 0.00 43.02 41.46 1j3p s PHE 101 CO 0.10 -0.66 1.19 0.00 -1.46 0.00 0.00 175.22 174.39 1j3p s ALA 102 N 1.92 3.43 -0.04 11.12 0.00 -0.10 -0.67 121.76 137.41 1j3p s ALA 102 Ca 0.03 0.93 0.02 0.00 0.00 0.00 0.00 51.96 52.94 1j3p s ALA 102 Cb -0.17 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1j3p s ALA 102 CO -0.15 -0.37 -0.01 1.28 0.00 0.00 0.00 175.76 176.51 1j3p n LEU 103 N 2.69 1.23 -3.74 0.00 4.77 0.49 -0.86 117.00 121.59 1j3p n LEU 103 Ca 0.05 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.88 1j3p n LEU 103 Cb 0.45 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1j3p n LEU 103 CO 0.56 0.30 0.06 -0.75 -1.33 0.00 0.00 177.39 176.22 1j3p s LYS 104 N -2.10 0.65 2.00 3.23 2.20 -0.76 -4.71 119.74 120.25 1j3p s LYS 104 Ca -0.04 -0.02 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 1j3p s LYS 104 Cb 0.01 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 1j3p s LYS 104 CO 0.15 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 1j3p n GLY 105 N 1.56 -1.35 3.15 5.54 0.00 -1.25 -0.48 105.19 112.36 1j3p n GLY 105 Ca -0.20 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 1j3p n GLY 105 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j3p s LYS 106 N 0.00 0.31 0.00 1.61 2.20 -1.26 -3.97 119.74 118.63 1j3p s LYS 106 Ca 0.00 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 1j3p s LYS 106 Cb 0.00 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1j3p s LYS 106 CO 0.00 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.35 1j3p n GLY 107 N 3.06 1.90 3.69 5.54 0.00 -0.63 -2.82 105.19 115.93 1j3p n GLY 107 Ca -0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 1j3p n GLY 107 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j3p s GLY 108 N 0.00 -0.32 -0.09 -0.02 0.00 -0.41 -0.52 107.32 105.97 1j3p s GLY 108 Ca 0.00 0.42 0.04 0.00 0.00 0.00 0.00 44.72 45.19 1j3p s GLY 108 CO 0.00 0.07 -0.24 -0.29 0.00 0.00 0.00 173.10 172.65 1j3p s MET 109 N -2.91 2.92 -0.22 2.90 1.75 0.24 -0.57 119.30 123.41 1j3p s MET 109 Ca 0.13 -0.87 -0.09 0.00 -1.25 0.00 0.00 55.69 53.61 1j3p s MET 109 Cb 0.01 -2.25 -0.04 0.00 2.84 0.00 0.00 34.83 35.39 1j3p s MET 109 CO -0.01 0.21 0.11 -1.17 -0.65 0.00 0.00 175.02 173.52 1j3p s LEU 110 N 0.25 3.90 0.17 4.11 2.96 0.77 -1.12 118.68 129.73 1j3p s LEU 110 Ca -0.16 0.05 0.08 0.00 -0.22 0.00 0.00 54.13 53.88 1j3p s LEU 110 Cb -0.17 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1j3p s LEU 110 CO 0.08 0.09 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.26 1j3p s LEU 111 N 0.90 2.45 -0.02 -0.68 1.02 -0.08 -0.34 118.68 121.93 1j3p s LEU 111 Ca 0.06 -0.88 -0.24 0.00 0.02 0.00 0.00 54.13 53.08 1j3p s LEU 111 Cb -0.13 -0.78 0.05 0.00 0.02 0.00 0.00 46.19 45.35 1j3p s LEU 111 CO 0.03 -0.07 0.53 0.00 0.02 0.00 0.00 176.35 176.86 1j3p s GLN 112 N -2.92 0.92 0.64 1.70 -2.07 -0.75 -1.12 119.66 116.06 1j3p s GLN 112 Ca 0.16 0.03 -0.04 0.00 -1.82 0.00 0.00 55.36 53.69 1j3p s GLN 112 Cb -0.05 0.42 0.04 0.00 -1.09 0.00 0.00 33.01 32.34 1j3p s GLN 112 CO 0.06 -0.28 0.93 0.95 -1.32 0.00 0.00 175.29 175.63 1j3p s THR 113 N -1.42 2.61 0.58 3.63 -4.23 -0.16 -0.55 115.64 116.10 1j3p s THR 113 Ca -0.11 -0.34 0.29 0.00 -1.18 0.00 0.00 61.69 60.34 1j3p s THR 113 Cb -0.02 -3.08 0.39 0.00 1.34 0.00 0.00 72.50 71.13 1j3p s THR 113 CO 0.06 -0.07 1.93 -0.65 -0.54 0.00 0.00 174.62 175.35 1j3p h PRO 114 N -0.34 0.00 0.09 3.99 0.11 -1.92 -0.37 132.00 133.56 1j3p h PRO 114 Ca -0.44 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.41 1j3p h PRO 114 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1j3p h PRO 114 CO 0.58 0.00 -1.15 0.93 -0.21 0.00 0.00 178.00 178.15 1j3p h GLU 115 N 0.00 0.27 0.00 1.05 3.07 -1.96 -3.48 114.58 113.53 1j3p h GLU 115 Ca 0.22 -0.41 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 1j3p h GLU 115 Cb 1.13 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1j3p h GLU 115 CO -0.00 1.17 0.00 0.41 -1.40 0.00 0.00 179.01 179.18 1j3p n GLY 116 N 1.37 0.46 3.67 -3.84 0.00 -0.15 -5.09 105.19 101.62 1j3p n GLY 116 Ca -0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 1j3p n GLY 116 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1j3p n GLU 117 N 0.00 2.65 -4.28 1.61 4.07 -1.26 -4.68 120.64 118.75 1j3p n GLU 117 Ca 0.00 0.97 -0.23 0.00 -0.06 0.00 0.00 57.16 57.84 1j3p n GLU 117 Cb 0.00 -2.88 -0.07 0.00 -0.06 0.00 0.00 31.44 28.43 1j3p n GLU 117 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1j3p s ALA 118 N 3.82 3.18 -0.03 4.31 0.00 -1.26 -0.99 121.76 130.80 1j3p s ALA 118 Ca 0.88 -1.67 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 1j3p s ALA 118 Cb -0.52 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 21.85 1j3p s ALA 118 CO 0.43 0.25 0.19 1.03 0.00 0.00 0.00 175.76 177.66 1j3p s ARG 119 N -3.69 0.43 -0.10 0.00 1.81 -0.27 -4.97 118.95 112.15 1j3p s ARG 119 Ca 0.32 -0.14 -0.01 0.00 -1.72 0.00 0.00 55.73 54.19 1j3p s ARG 119 Cb -0.06 0.19 0.03 0.00 -0.45 0.00 0.00 34.95 34.65 1j3p s ARG 119 CO 0.20 -0.10 -0.05 0.12 -0.68 0.00 0.00 175.30 174.79 1j3p s PHE 120 N -0.87 1.25 -0.20 -0.53 5.36 -1.26 -0.90 117.98 120.82 1j3p s PHE 120 Ca -0.10 -0.59 -0.01 0.00 -0.96 0.00 0.00 56.93 55.28 1j3p s PHE 120 Cb -0.05 -1.11 0.01 0.00 -0.34 0.00 0.00 43.02 41.53 1j3p s PHE 120 CO 0.02 -0.47 -0.13 0.42 -1.46 0.00 0.00 175.22 173.60 1j3p s ILE 121 N 1.79 2.62 0.46 3.12 1.01 -0.27 -4.94 121.20 124.99 1j3p s ILE 121 Ca 0.05 -0.77 -0.23 0.00 0.00 0.00 0.00 60.65 59.70 1j3p s ILE 121 Cb -0.13 -2.16 -0.07 0.00 0.01 0.00 0.00 42.46 40.11 1j3p s ILE 121 CO -0.07 0.48 1.23 -1.61 0.00 0.00 0.00 174.94 174.96 1j3p s GLU 122 N 1.37 3.69 -0.04 2.79 2.02 -1.26 -0.59 118.70 126.68 1j3p s GLU 122 Ca 0.05 1.94 0.02 0.00 0.02 0.00 0.00 54.97 57.00 1j3p s GLU 122 Cb -0.14 -2.46 0.01 0.00 0.10 0.00 0.00 34.13 31.64 1j3p s GLU 122 CO -0.09 -0.65 -0.08 -1.64 0.02 0.00 0.00 175.26 172.82 1j3p s MET 123 N -2.62 1.04 0.20 1.61 -1.94 0.32 -4.89 119.30 113.02 1j3p s MET 123 Ca 0.63 -0.26 0.01 0.00 -1.71 0.00 0.00 55.69 54.36 1j3p s MET 123 Cb -0.33 -0.95 -0.05 0.00 2.01 0.00 0.00 34.83 35.51 1j3p s MET 123 CO 0.40 0.03 0.07 -1.83 -0.01 0.00 0.00 175.02 173.68 1j3p s GLU 124 N 0.50 1.18 0.15 2.03 -1.05 -1.26 -1.61 118.70 118.65 1j3p s GLU 124 Ca -0.08 -1.61 -0.34 0.00 -0.15 0.00 0.00 54.97 52.79 1j3p s GLU 124 Cb -0.12 -0.07 -0.15 0.00 -0.44 0.00 0.00 34.13 33.36 1j3p s GLU 124 CO 0.01 -0.26 1.42 -2.30 0.95 0.00 0.00 175.26 175.08 1j3p n PRO 125 N -0.29 1.66 0.00 -4.83 -0.02 -1.25 -1.26 135.00 129.02 1j3p n PRO 125 Ca -0.03 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1j3p n PRO 125 Cb 0.65 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1j3p n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j3p n GLY 126 N 2.73 2.83 3.70 -1.23 0.00 -0.04 -4.97 105.19 108.21 1j3p n GLY 126 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1j3p n GLY 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j3p s THR 127 N -2.73 3.97 -0.17 2.61 2.01 -0.39 -4.83 115.64 116.13 1j3p s THR 127 Ca 0.00 1.39 -0.05 0.00 0.31 0.00 0.00 61.69 63.34 1j3p s THR 127 Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1j3p s THR 127 CO 0.00 0.07 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.36 1j3p s ILE 128 N 1.52 4.19 -0.13 1.82 1.01 -1.26 -0.93 121.20 127.42 1j3p s ILE 128 Ca 0.59 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.99 1j3p s ILE 128 Cb -0.29 -2.86 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 1j3p s ILE 128 CO 0.27 0.48 -0.14 -0.69 0.00 0.00 0.00 174.94 174.87 1j3p s VAL 129 N 0.39 3.00 -0.37 2.92 1.01 0.65 -4.96 120.40 123.03 1j3p s VAL 129 Ca -0.02 -0.68 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 1j3p s VAL 129 Cb -0.14 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1j3p s VAL 129 CO 0.02 0.52 0.31 -0.47 0.00 0.00 0.00 175.10 175.48 1j3p s TYR 130 N 0.38 3.22 -0.52 5.22 5.04 -1.26 -0.94 117.35 128.49 1j3p s TYR 130 Ca -0.11 -0.31 -0.19 0.00 -2.44 0.00 0.00 57.07 54.02 1j3p s TYR 130 Cb -0.16 -2.61 0.06 0.00 0.35 0.00 0.00 41.96 39.61 1j3p s TYR 130 CO 0.06 -0.49 0.65 0.08 -1.34 0.00 0.00 175.55 174.50 1j3p s VAL 131 N 1.83 4.85 0.91 3.14 1.01 0.29 -5.00 120.40 127.43 1j3p s VAL 131 Ca 0.08 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 1j3p s VAL 131 Cb -0.18 -4.34 0.14 0.00 0.00 0.00 0.00 36.38 32.01 1j3p s VAL 131 CO 0.11 -0.87 1.09 -2.84 0.00 0.00 0.00 175.10 172.60 1j3p s PRO 132 N 2.67 1.11 0.51 2.72 0.02 -1.26 -1.11 135.00 139.66 1j3p s PRO 132 Ca 0.15 0.74 -0.23 0.00 0.02 0.00 0.00 61.00 61.68 1j3p s PRO 132 Cb -0.20 -1.80 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 1j3p s PRO 132 CO 0.11 -2.32 1.27 -2.30 -0.33 0.00 0.00 177.00 173.43 1j3p n PRO 133 N -3.93 1.68 0.00 5.54 -0.02 -1.26 -2.90 135.00 134.11 1j3p n PRO 133 Ca 0.07 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1j3p n PRO 133 Cb 0.56 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1j3p n PRO 133 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1j3p n TYR 134 N -0.82 0.00 -3.32 6.00 4.01 0.44 -4.96 117.16 118.51 1j3p n TYR 134 Ca 0.09 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.45 1j3p n TYR 134 Cb 0.43 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.40 1j3p n TYR 134 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1j3p s TRP 135 N -2.57 3.60 0.48 -0.72 0.52 -1.14 -4.27 118.94 114.84 1j3p s TRP 135 Ca 0.00 0.99 -0.12 0.00 0.02 0.00 0.00 56.10 56.99 1j3p s TRP 135 Cb 0.00 -2.52 -0.06 0.00 -1.15 0.00 0.00 33.47 29.74 1j3p s TRP 135 CO 0.00 0.30 0.88 0.00 0.02 0.00 0.00 176.95 178.16 1j3p s ALA 136 N 0.10 3.22 -0.03 0.98 0.00 0.28 -4.75 121.76 121.56 1j3p s ALA 136 Ca 0.27 -0.08 -0.14 0.00 0.00 0.00 0.00 51.96 52.01 1j3p s ALA 136 Cb -0.16 -2.89 0.02 0.00 0.00 0.00 0.00 23.12 20.09 1j3p s ALA 136 CO 0.13 -0.22 0.30 -3.38 0.00 0.00 0.00 175.76 172.59 1j3p s HIS 137 N -2.61 -0.19 -0.00 0.00 -3.43 -0.76 -1.80 115.29 106.50 1j3p s HIS 137 Ca 0.54 0.32 0.00 0.00 -0.80 0.00 0.00 55.06 55.13 1j3p s HIS 137 Cb -0.10 0.09 0.00 0.00 -1.43 0.00 0.00 32.58 31.14 1j3p s HIS 137 CO 0.36 -0.35 -0.00 0.50 -2.00 0.00 0.00 174.74 173.24 1j3p s ARG 138 N -1.12 0.02 -0.06 -0.38 3.52 0.54 -2.48 118.95 118.99 1j3p s ARG 138 Ca -0.12 0.00 -0.04 0.00 -0.13 0.00 0.00 55.73 55.44 1j3p s ARG 138 Cb -0.05 -0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.27 1j3p s ARG 138 CO 0.04 -0.00 0.14 0.99 -0.81 0.00 0.00 175.30 175.65 1j3p s THR 139 N 0.06 5.28 -0.03 4.11 2.01 -1.26 -0.16 115.64 125.64 1j3p s THR 139 Ca -0.00 -0.06 0.04 0.00 0.31 0.00 0.00 61.69 61.98 1j3p s THR 139 Cb -0.01 -3.38 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 1j3p s THR 139 CO -0.00 0.46 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.61 1j3p s ILE 140 N -1.16 1.23 -0.44 1.82 1.01 0.26 -1.52 121.20 122.40 1j3p s ILE 140 Ca 0.21 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 1j3p s ILE 140 Cb -0.12 -1.04 0.04 0.00 0.01 0.00 0.00 42.46 41.34 1j3p s ILE 140 CO 0.11 0.35 0.38 0.21 0.00 0.00 0.00 174.94 175.99 1j3p s ASN 141 N -0.10 6.15 -0.01 3.58 3.84 -0.77 -1.28 114.94 126.35 1j3p s ASN 141 Ca 0.00 -1.00 0.22 0.00 0.21 0.00 0.00 52.86 52.30 1j3p s ASN 141 Cb -0.09 -2.19 0.66 0.00 -0.55 0.00 0.00 41.25 39.08 1j3p s ASN 141 CO 0.01 -0.57 1.55 0.35 -2.79 0.00 0.00 177.10 175.65 1j3p n THR 142 N 5.26 1.04 -3.66 -5.21 -2.24 -1.13 -4.21 114.28 104.12 1j3p n THR 142 Ca -0.10 -1.00 -0.02 0.00 -2.27 0.00 0.00 64.05 60.65 1j3p n THR 142 Cb 0.46 0.47 -0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1j3p n THR 142 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3p n GLY 143 N 1.65 3.31 0.79 3.38 0.00 -1.20 -4.96 105.19 108.16 1j3p n GLY 143 Ca 0.25 -2.19 0.09 0.00 0.00 0.00 0.00 46.02 44.17 1j3p n GLY 143 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j3p n ASP 144 N -1.75 2.67 -4.50 1.61 5.68 -1.26 -4.45 116.55 114.54 1j3p n ASP 144 Ca -0.01 -1.81 -0.24 0.00 -0.50 0.00 0.00 54.79 52.23 1j3p n ASP 144 Cb 0.05 -0.04 -0.10 0.00 -1.14 0.00 0.00 41.12 39.88 1j3p n ASP 144 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1j3p s LYS 145 N -1.51 1.72 0.36 0.11 -0.14 -1.26 -4.78 119.74 114.25 1j3p s LYS 145 Ca 0.24 -1.88 -0.28 0.00 -1.36 0.00 0.00 55.97 52.69 1j3p s LYS 145 Cb 0.16 -1.54 -0.11 0.00 -1.68 0.00 0.00 37.83 34.66 1j3p s LYS 145 CO 0.24 0.13 1.48 -2.30 -0.76 0.00 0.00 175.35 174.14 1j3p n PRO 146 N -0.71 2.63 -3.62 -1.68 -0.02 -1.26 -4.26 135.00 126.07 1j3p n PRO 146 Ca -0.05 0.92 -0.39 0.00 -2.02 0.00 0.00 63.50 61.96 1j3p n PRO 146 Cb 0.63 -2.65 -0.11 0.00 -0.02 0.00 0.00 33.50 31.35 1j3p n PRO 146 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1j3p s PHE 147 N -0.99 3.20 -0.11 6.00 5.36 0.52 -3.79 117.98 128.17 1j3p s PHE 147 Ca 0.55 -0.61 0.01 0.00 -0.96 0.00 0.00 56.93 55.91 1j3p s PHE 147 Cb -0.49 -2.39 -0.02 0.00 -0.34 0.00 0.00 43.02 39.78 1j3p s PHE 147 CO 0.62 -0.49 -0.13 0.42 -1.46 0.00 0.00 175.22 174.18 1j3p s ILE 148 N 1.61 3.11 0.09 3.12 1.01 0.37 -0.94 121.20 129.58 1j3p s ILE 148 Ca 0.04 -0.66 -0.11 0.00 0.00 0.00 0.00 60.65 59.93 1j3p s ILE 148 Cb -0.18 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.02 1j3p s ILE 148 CO 0.07 0.54 0.25 0.72 0.00 0.00 0.00 174.94 176.52 1j3p s PHE 149 N 0.08 0.04 -0.11 3.97 -0.12 -0.99 -0.38 117.98 120.46 1j3p s PHE 149 Ca -0.05 -0.39 -0.02 0.00 -0.05 0.00 0.00 56.93 56.42 1j3p s PHE 149 Cb -0.15 0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.25 1j3p s PHE 149 CO 0.04 -0.56 -0.05 -1.17 -0.05 0.00 0.00 175.22 173.43 1j3p s LEU 150 N -2.68 3.23 -0.02 -1.99 2.96 0.15 -0.87 118.68 119.46 1j3p s LEU 150 Ca 0.02 -0.07 0.08 0.00 -0.22 0.00 0.00 54.13 53.94 1j3p s LEU 150 Cb 0.03 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1j3p s LEU 150 CO -0.10 0.26 -0.25 0.00 -1.32 0.00 0.00 176.35 174.94 1j3p s ALA 151 N -0.20 2.20 -0.08 5.97 0.00 0.12 -0.28 121.76 129.49 1j3p s ALA 151 Ca 0.03 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.90 1j3p s ALA 151 Cb -0.13 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.42 1j3p s ALA 151 CO 0.02 0.53 -0.12 -0.51 0.00 0.00 0.00 175.76 175.68 1j3p s LEU 152 N -0.60 1.58 0.06 0.00 1.02 0.19 -0.79 118.68 120.15 1j3p s LEU 152 Ca 0.10 -0.32 -0.13 0.00 0.02 0.00 0.00 54.13 53.80 1j3p s LEU 152 Cb -0.10 -0.87 0.02 0.00 0.02 0.00 0.00 46.19 45.25 1j3p s LEU 152 CO -0.01 0.01 0.28 -0.72 0.02 0.00 0.00 176.35 175.93 1j3p s TYR 153 N 0.89 -0.05 0.35 0.29 -0.85 -0.51 -0.99 117.35 116.48 1j3p s TYR 153 Ca -0.10 -0.16 -0.29 0.00 -0.52 0.00 0.00 57.07 56.00 1j3p s TYR 153 Cb -0.15 0.07 -0.11 0.00 0.38 0.00 0.00 41.96 42.15 1j3p s TYR 153 CO 0.01 -0.52 1.49 -2.30 -1.52 0.00 0.00 175.55 172.70 1j3p n PRO 154 N 0.39 2.61 0.28 -3.49 -0.02 -1.26 -0.12 135.00 133.39 1j3p n PRO 154 Ca -0.18 0.92 0.12 0.00 -2.02 0.00 0.00 63.50 62.34 1j3p n PRO 154 Cb 0.60 -2.64 0.78 0.00 -0.02 0.00 0.00 33.50 32.22 1j3p n PRO 154 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j3p h ALA 155 N 3.33 1.70 -0.67 3.55 0.00 -1.49 -1.73 119.26 123.95 1j3p h ALA 155 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1j3p h ALA 155 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1j3p h ALA 155 CO 0.67 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.55 1j3p n ASP 156 N -4.13 4.53 -0.08 0.00 5.75 -1.25 -4.28 116.55 117.09 1j3p n ASP 156 Ca -0.03 -2.33 -0.11 0.00 -0.01 0.00 0.00 54.79 52.31 1j3p n ASP 156 Cb 0.10 -0.55 -0.04 0.00 -1.03 0.00 0.00 41.12 39.60 1j3p n ASP 156 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j3p h ALA 157 N 4.10 0.34 -1.25 2.12 0.00 -1.65 -3.39 119.26 119.53 1j3p h ALA 157 Ca 0.00 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.84 1j3p h ALA 157 Cb 1.32 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1j3p h ALA 157 CO 0.17 0.03 -0.15 0.41 0.00 0.00 0.00 179.25 179.71 1j3p n GLY 158 N -0.44 -1.92 2.82 0.00 0.00 -1.26 -0.18 105.19 104.22 1j3p n GLY 158 Ca -0.03 -1.32 -0.18 0.00 0.00 0.00 0.00 46.02 44.49 1j3p n GLY 158 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j3p s HIS 159 N -1.00 0.43 -0.64 1.61 3.76 -1.26 -3.34 115.29 114.85 1j3p s HIS 159 Ca 0.00 -0.05 -0.03 0.00 -0.15 0.00 0.00 55.06 54.83 1j3p s HIS 159 Cb 0.00 -0.50 0.16 0.00 1.11 0.00 0.00 32.58 33.35 1j3p s HIS 159 CO 0.00 -0.16 0.45 0.34 -0.85 0.00 0.00 174.74 174.52 1j3p s ASP 160 N 1.14 5.23 0.03 1.40 2.15 0.16 -4.55 116.67 122.23 1j3p s ASP 160 Ca -0.08 -2.91 0.05 0.00 0.43 0.00 0.00 52.55 50.04 1j3p s ASP 160 Cb -0.14 -1.85 -0.24 0.00 -0.30 0.00 0.00 42.92 40.39 1j3p s ASP 160 CO -0.02 -0.35 0.95 1.88 -0.17 0.00 0.00 175.17 177.46 1j3p h TYR 161 N 6.95 0.16 -0.75 -5.34 0.05 -1.84 -2.66 116.97 113.55 1j3p h TYR 161 Ca -0.01 -0.12 0.15 0.00 0.05 0.00 0.00 58.73 58.80 1j3p h TYR 161 Cb 0.94 -0.01 -0.14 0.00 1.01 0.00 0.00 36.73 38.54 1j3p h TYR 161 CO 0.71 1.14 -0.19 0.78 -1.05 0.00 0.00 178.16 179.55 1j3p h GLY 162 N 2.67 0.51 1.05 3.88 0.00 -1.92 -0.36 103.07 108.91 1j3p h GLY 162 Ca -0.17 0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.42 1j3p h GLY 162 CO 0.13 -0.28 0.62 -0.84 0.00 0.00 0.00 176.54 176.16 1j3p h THR 163 N -0.01 1.25 -0.14 4.70 2.02 -1.98 -1.69 112.91 117.06 1j3p h THR 163 Ca 0.35 -0.48 -0.22 0.00 0.77 0.00 0.00 66.41 66.84 1j3p h THR 163 Cb 0.55 -0.14 0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1j3p h THR 163 CO -0.77 0.25 -0.77 0.40 0.37 0.00 0.00 175.52 175.00 1j3p h ILE 164 N 1.30 1.29 -0.45 3.11 1.08 -1.57 -1.67 117.51 120.60 1j3p h ILE 164 Ca 0.35 -1.99 -0.00 0.00 -0.39 0.00 0.00 64.86 62.82 1j3p h ILE 164 Cb -0.12 1.99 -0.02 0.00 -3.07 0.00 0.00 36.82 35.60 1j3p h ILE 164 CO -0.07 0.63 0.28 0.00 -0.69 0.00 0.00 178.15 178.29 1j3p h ALA 165 N 0.63 1.64 0.17 1.87 0.00 -0.77 0.96 119.26 123.75 1j3p h ALA 165 Ca -0.05 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 1j3p h ALA 165 Cb 1.39 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 19.02 1j3p h ALA 165 CO 0.15 0.32 -1.03 1.49 0.00 0.00 0.00 179.25 180.18 1j3p h GLU 166 N 0.62 0.35 0.00 0.00 4.57 -1.22 -3.41 114.58 115.49 1j3p h GLU 166 Ca 0.16 -0.60 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1j3p h GLU 166 Cb -0.03 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1j3p h GLU 166 CO -0.03 1.29 -0.97 1.63 -1.18 0.00 0.00 179.01 179.74 1j3p n LYS 167 N -4.01 1.81 0.00 1.92 4.01 -0.64 -5.11 118.16 116.15 1j3p n LYS 167 Ca -0.16 -0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.60 1j3p n LYS 167 Cb 0.90 -1.05 0.00 0.00 -0.51 0.00 0.00 35.03 34.37 1j3p n LYS 167 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1j3p n GLY 168 N 1.76 -1.00 3.95 0.72 0.00 0.33 -4.56 105.19 106.39 1j3p n GLY 168 Ca -0.00 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 1j3p n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j3p s PHE 169 N 0.00 3.48 0.23 1.61 0.08 -1.26 -4.77 117.98 117.34 1j3p s PHE 169 Ca 0.00 0.17 0.36 0.00 0.12 0.00 0.00 56.93 57.58 1j3p s PHE 169 Cb 0.00 -1.72 1.63 0.00 -0.57 0.00 0.00 43.02 42.36 1j3p s PHE 169 CO 0.00 0.40 2.07 0.66 -0.10 0.00 0.00 175.22 178.26 1j3p h SER 170 N 1.63 0.00 -3.69 1.36 4.64 -1.87 -3.42 113.55 112.20 1j3p h SER 170 Ca -0.50 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.34 1j3p h SER 170 Cb 1.21 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.12 1j3p h SER 170 CO 0.65 0.00 -0.77 -0.54 -0.87 0.00 0.00 176.83 175.30 1j3p s LYS 171 N -3.78 1.20 0.16 4.77 -0.14 -1.26 0.15 119.74 120.84 1j3p s LYS 171 Ca -0.00 -1.37 0.10 0.00 -1.36 0.00 0.00 55.97 53.34 1j3p s LYS 171 Cb 0.10 -1.18 -0.04 0.00 -1.68 0.00 0.00 37.83 35.03 1j3p s LYS 171 CO 0.50 0.23 -0.22 0.96 -0.76 0.00 0.00 175.35 176.07 1j3p s ILE 172 N -2.15 2.03 -0.20 2.17 -4.36 0.71 -4.69 121.20 114.71 1j3p s ILE 172 Ca 0.14 -1.87 -0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1j3p s ILE 172 Cb -0.05 -1.90 0.02 0.00 1.25 0.00 0.00 42.46 41.77 1j3p s ILE 172 CO 0.05 -0.16 -0.15 -0.69 0.24 0.00 0.00 174.94 174.24 1j3p s VAL 173 N -1.65 2.42 0.37 8.37 1.01 -1.26 -1.57 120.40 128.08 1j3p s VAL 173 Ca 0.16 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1j3p s VAL 173 Cb -0.08 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1j3p s VAL 173 CO 0.07 0.45 0.16 0.68 0.00 0.00 0.00 175.10 176.45 1j3p s VAL 174 N 1.32 0.47 -0.14 2.92 -7.23 -0.07 -2.62 120.40 115.06 1j3p s VAL 174 Ca 0.04 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.18 1j3p s VAL 174 Cb -0.14 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1j3p s VAL 174 CO -0.10 0.00 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.94 1j3p s GLU 175 N -3.71 3.48 -0.46 4.82 2.12 -0.25 -0.37 118.70 124.33 1j3p s GLU 175 Ca 0.30 -0.54 0.05 0.00 0.36 0.00 0.00 54.97 55.14 1j3p s GLU 175 Cb 0.03 -2.82 0.18 0.00 0.26 0.00 0.00 34.13 31.78 1j3p s GLU 175 CO 0.17 0.31 0.53 -1.21 -0.54 0.00 0.00 175.26 174.53 1j3p s GLU 176 N 0.15 0.98 0.00 4.30 2.02 -1.26 -4.80 118.70 120.08 1j3p s GLU 176 Ca -0.02 -1.55 0.00 0.00 0.02 0.00 0.00 54.97 53.42 1j3p s GLU 176 Cb -0.14 -0.71 0.00 0.00 0.10 0.00 0.00 34.13 33.38 1j3p s GLU 176 CO 0.03 -1.35 0.00 -1.71 0.02 0.00 0.00 175.26 172.25 1j3p n ASN 177 N 2.94 0.00 -3.73 -0.19 2.85 -1.26 -4.74 115.26 111.13 1j3p n ASN 177 Ca 0.23 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.74 1j3p n ASN 177 Cb 0.52 -1.23 0.00 0.00 1.24 0.00 0.00 39.78 40.31 1j3p n ASN 177 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1j3p s GLY 178 N -2.00 -0.38 -0.16 8.20 0.00 -1.26 -5.13 107.32 106.58 1j3p s GLY 178 Ca 0.00 0.63 -0.29 0.00 0.00 0.00 0.00 44.72 45.06 1j3p s GLY 178 CO 0.00 2.75 1.11 1.25 0.00 0.00 0.00 173.10 178.21 1j3p s LYS 179 N -2.04 4.30 -0.01 2.90 2.36 -1.26 -4.18 119.74 121.81 1j3p s LYS 179 Ca 0.22 1.49 0.04 0.00 -2.55 0.00 0.00 55.97 55.16 1j3p s LYS 179 Cb 0.05 -3.64 -0.01 0.00 -1.05 0.00 0.00 37.83 33.18 1j3p s LYS 179 CO -0.05 -0.56 -0.14 0.08 1.55 0.00 0.00 175.35 176.23 1j3p s VAL 180 N 2.89 1.08 -0.29 4.02 1.01 0.50 -4.95 120.40 124.65 1j3p s VAL 180 Ca 0.49 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 1j3p s VAL 180 Cb -0.19 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.32 1j3p s VAL 180 CO 0.13 0.30 0.04 -0.69 0.00 0.00 0.00 175.10 174.88 1j3p s VAL 181 N -0.31 3.52 0.32 2.92 1.01 -1.26 -0.89 120.40 125.70 1j3p s VAL 181 Ca 0.05 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1j3p s VAL 181 Cb -0.05 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 33.39 1j3p s VAL 181 CO -0.00 0.02 0.07 0.68 0.00 0.00 0.00 175.10 175.87 1j3p s VAL 182 N 1.40 1.01 0.34 2.92 -7.23 -0.61 -4.95 120.40 113.28 1j3p s VAL 182 Ca -0.00 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 1j3p s VAL 182 Cb -0.18 -2.73 -0.11 0.00 0.56 0.00 0.00 36.38 33.92 1j3p s VAL 182 CO 0.00 0.00 1.52 -0.54 -0.31 0.00 0.00 175.10 175.78 1j3p s LYS 183 N -3.91 4.13 -0.43 4.82 1.02 -1.26 -0.21 119.74 123.89 1j3p s LYS 183 Ca 0.36 2.55 -0.27 0.00 0.02 0.00 0.00 55.97 58.63 1j3p s LYS 183 Cb 0.08 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 34.42 1j3p s LYS 183 CO 0.15 -0.56 1.02 0.34 -0.92 0.00 0.00 175.35 175.38 1j3p s ASP 184 N 0.12 6.63 0.19 2.83 -1.08 0.12 -4.59 116.67 120.89 1j3p s ASP 184 Ca 0.57 0.43 -0.21 0.00 -0.52 0.00 0.00 52.55 52.83 1j3p s ASP 184 Cb -0.47 -2.50 0.12 0.00 -1.46 0.00 0.00 42.92 38.62 1j3p s ASP 184 CO 0.56 -1.07 1.59 0.78 0.52 0.00 0.00 175.17 177.55 1j3p h ASN 185 N 8.91 -1.10 -0.13 -0.34 4.21 -1.92 -0.07 115.58 125.14 1j3p h ASN 185 Ca -0.23 0.22 -0.03 0.00 1.21 0.00 0.00 56.30 57.47 1j3p h ASN 185 Cb 1.07 0.55 -0.02 0.00 -1.12 0.00 0.00 38.32 38.80 1j3p h ASN 185 CO 1.05 -0.30 0.04 -0.81 -1.29 0.00 0.00 177.43 176.12 1j3p n PRO 186 N -5.43 1.57 0.00 0.81 -0.04 -1.26 -5.22 135.00 125.43 1j3p n PRO 186 Ca 0.04 -0.57 0.12 0.00 -0.04 0.00 0.00 63.50 63.05 1j3p n PRO 186 Cb 0.35 -1.51 0.72 0.00 -0.04 0.00 0.00 33.50 33.02 1j3p n PRO 186 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63